3pry

Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution

Method: X-RAY DIFFRACTION Dmax: 98.7 Å Quality: GOOD

1. Protein Identity and Related Structures Protein Identity & Related Structures

Heat shock protein HSP 90-beta

Homo sapiens

UniProt P08238

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 284–543 Fragment:middle domain (UNP residues 284-543) SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.5;293.15 K;25.5% PEG3350, 0.17 M ammonium sulfate, 15% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K Resolution 2.28 Å R-free 0.217
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 284–543 Fragment:middle domain (UNP residues 284-543) SO4 SULFATE ION × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.5;293.15 K;25.5% PEG3350, 0.17 M ammonium sulfate, 15% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K Resolution 2.28 Å R-free 0.217
3 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain C; UniProt 284–543 Fragment:middle domain (UNP residues 284-543) EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.5;293.15 K;25.5% PEG3350, 0.17 M ammonium sulfate, 15% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K Resolution 2.28 Å R-free 0.217

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

29 other PDB entries and 48 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name HS90B_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 2–261; UniProt 284–543 Author chain B; PDBConstruct 2–261; UniProt 284–543 Author chain C; PDBConstruct 2–261; UniProt 284–543

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 3pry

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3pry
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3pry
Deposition date deposition_date2010-11-30
Structure title titleCrystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
Keywords keywordsStructural Genomics, Structural Genomics Consortium, SGC, heat shock protein, HSP90B, CHAPERONE; CHAPERONE
Experimental Method methodX-RAY DIFFRACTION

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier31.81
Radius of gyration Rg (electron density) rg_electron30.64
Forward intensity I(0) i0121124000.00
Molecular weight molecular_weight87451.0 kDa
Excluded volume excluded_volume109650 ų
Envelope volume envelope_volume148180 ų
Hydration-shell volume shell_volume39904 ų
Envelope diameter envelope_diameter103.6
Shell Rg shell_rg38.15
Envelope Rg envelope_rg30.40
Shape Rg shape_rg30.61
Total Rg total_rg31.42
Total atoms total_atoms6159
Residues n_residues756
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax98.7
Rg (real space) rg_real31.62
Rg uncertainty (real space) rg_real_error0.54
I(0) (real space) i0_real1.2110e+08
I(0) uncertainty (real space) i0_real_error1.7430e+06
Rg (reciprocal space) rg_reciprocal31.70
I(0) (reciprocal space) i0_reciprocal121100000.0000
Solution quality estimate total_estimate0.8986
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary43.4
Skewness Skewness skewness0.109
Kurtosis Kurtosis kurtosis-0.479
Angular range angular_range— – 0.2500 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha40610000.0000
Real-space data points n_real_points51
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.919; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.929

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (6 domains)

Domain ID domain_idd3prya1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.14 — Ribosomal protein S5 domain 2-like
Superfamily Superfamily superfamilyd.14.1 — Ribosomal protein S5 domain 2-like
Family Family familyd.14.1.8 — Hsp90 middle domain
Domain ID domain_idd3prya2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd3pryb1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.14 — Ribosomal protein S5 domain 2-like
Superfamily Superfamily superfamilyd.14.1 — Ribosomal protein S5 domain 2-like
Family Family familyd.14.1.8 — Hsp90 middle domain
Domain ID domain_idd3pryb2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd3pryc1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.14 — Ribosomal protein S5 domain 2-like
Superfamily Superfamily superfamilyd.14.1 — Ribosomal protein S5 domain 2-like
Family Family familyd.14.1.8 — Hsp90 middle domain
Domain ID domain_idd3pryc2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (6 domains)

Domain ID domain_id3pryA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology230 — Ribosomal Protein S5; domain 2
Homologous superfamily homologous superfamily80
Domain ID domain_id3pryA02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily11260
Domain ID domain_id3pryB01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology230 — Ribosomal Protein S5; domain 2
Homologous superfamily homologous superfamily80
Domain ID domain_id3pryB02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily11260
Domain ID domain_id3pryC01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology230 — Ribosomal Protein S5; domain 2
Homologous superfamily homologous superfamily80
Domain ID domain_id3pryC02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily11260

8. Citations (1)

9. Files and Curves (10)